SCHEMBL1703543

SCHEMBL1703543

Nc1cnn(C[C@@H](O)CO)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.37
AHCY P23526 1/20 0.36
ADORA2A P29274 1/20 0.36
JAK2 O60674 13/20 0.36
JAK1 P23458 13/20 0.36
TYK2 P29597 13/20 0.36
JAK3 P52333 13/20 0.36
PDK2 Q15119 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1703997 1.00 MAPT (0.40) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL15973719 1.00 MAPT (0.40) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL4515387 0.84 MAPT (0.42) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL672286 0.80 JAK2 (0.41) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL15894907 0.79 ACHE (0.42) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL1703536 0.79 ACHE (0.42) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL1662568 0.79 ACHE (0.42) MAPTLMNAALDH1A1PKML3MBTL1
SCHEMBL17382012 0.78 NOS1 (0.39) HPGDJAK2JAK1TYK2JAK3
SCHEMBL12460156 0.78 NOS1 (0.39) HPGDJAK2JAK1TYK2JAK3
SCHEMBL15884927 0.78 JAK2 (0.39) HPGDJAK2JAK1TYK2JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
EP-2958910-B1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LTD (GB) 2016-08-03 EP disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 US disclosed
WO-2014128486-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2014-08-28 WO disclosed
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US disclosed
CN-102498110-A 2- (LH-pyrazol-4-ylamino) -pyrimidine as kinase inhibitors ABBOTT LAB 2012-06-13 CN disclosed
EP-2440548-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS Abbott Laboratories (US) 2012-04-18 EP disclosed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US disclosed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB MAPT 2310/4885LMNA 2413/4885ALDH1A1 899/4885
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS MAPT 1242/4885LMNA 2525/4885ALDH1A1 4351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.